5-bromanyl-N-(3,4-dihydro-2H-quinolin-1-ylcarbothioyl)-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-(3,4-dihydro-2H-quinolin-1-ylcarbothioyl)-2-hexoxy-benzamide Openeye Name: 5-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-hexoxy-benzamide CAS Name: 5-bromo-N-[3,4-dihydro-2H-quinolin-1-yl(sulfanylidene)methyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-hexoxybenzamide Traditional Name: 5-bromo-N-(3,4-dihydro-2H-quinoline-1-carbothioyl)-2-hexoxy-benzamide Formula: C23H27BrN2O2S MolecularWeight: 475.44168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCCC3=CC=CC=C32

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCCC3=CC=CC=C32

InChI

InChI=1S/C23H27BrN2O2S/c1-2-3-4-7-15-28-21-13-12-18(24)16-19(21)22(27)25-23(29)26-14-8-10-17-9-5-6-11-20(17)26/h5-6,9,11-13,16H,2-4,7-8,10,14-15H2,1H3,(H,25,27,29)